2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine

C7H7ClF2N2O — CID 164907920

IUPAC2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine
SMILESCOc1nc(Cl)ncc1C(C)(F)F
InChIInChI=1S/C7H7ClF2N2O/c1-7(9,10)4-3-11-6(8)12-5(4)13-2/h3H,1-2H3
InChIKeyUOLCGLLZMKAVFI-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine

2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine (PubChem CID 164907920) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine
PubChem CID164907920
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine
SMILESCOc1nc(Cl)ncc1C(C)(F)F
InChIInChI=1S/C7H7ClF2N2O/c1-7(9,10)4-3-11-6(8)12-5(4)13-2/h3H,1-2H3
InChIKeyUOLCGLLZMKAVFI-UHFFFAOYSA-N
XLogP2.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethoxy-5-methylpyrimidine
CID 579948
2,4-Dimethoxy-5-(nonafluorobutyl)pyrimidine
CID 125484246
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704
2-(2-Chloro-4-methoxypyrimidin-5-yl)ethanol
CID 57396090
5-Fluoro-2,4-dimethoxypyrimidine
CID 268774
5H-Pyrano[2,3-d]pyrimidine
CID 53439102
2-Chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
CID 57396909
4-Methoxy-5-methylpyrimidine
CID 13861006
2,4-Dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
CID 121222316
2,4-Dimethoxy-5-(trifluoromethyl)pyrimidine
CID 21732778
2-Methoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282354
2,4-Dimethoxy-5-(trifluoromethylselanyl)pyrimidine
CID 177481255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine?
The IUPAC name of 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine (CID 164907920) is 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine.
What is the SMILES notation for 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine?
The canonical SMILES for 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine is COc1nc(Cl)ncc1C(C)(F)F.
What is the InChIKey of 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine?
The InChIKey is UOLCGLLZMKAVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c1-7(9,10)4-3-11-6(8)12-5(4)13-2/h3H,1-2H3.
What are the key properties of 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine?
2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine has a molecular weight of 208.59 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine is sourced from PubChem (CID 164907920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).